4,4-difluoro-N-(2-pyrazin-2-ylethyl)pyrrolidine-2-carboxamide;hydrochloride

C11H15ClF2N4O — CID 120955430

IUPAC4,4-difluoro-N-(2-pyrazin-2-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1cnccn1)C1CC(F)(F)CN1
InChIInChI=1S/C11H14F2N4O.ClH/c12-11(13)5-9(17-7-11)10(18)16-2-1-8-6-14-3-4-15-8;/h3-4,6,9,17H,1-2,5,7H2,(H,16,18);1H
InChIKeyVGDCHFSWDVKMLV-UHFFFAOYSA-N
MW292.72 g/mol
LogP0.55
Rot. Bonds4

About 4,4-difluoro-N-(2-pyrazin-2-ylethyl)pyrrolidine-2-carboxamide;hydrochloride

4,4-difluoro-N-(2-pyrazin-2-ylethyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 120955430) has the molecular formula C11H15ClF2N4O and a molecular weight of 292.72 g/mol. Its IUPAC name is 4,4-difluoro-N-(2-pyrazin-2-ylethyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4,4-difluoro-N-(2-pyrazin-2-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID120955430
Molecular FormulaC11H15ClF2N4O
Molecular Weight292.72 g/mol
Exact Mass292.09
IUPAC Name4,4-difluoro-N-(2-pyrazin-2-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1cnccn1)C1CC(F)(F)CN1
InChIInChI=1S/C11H14F2N4O.ClH/c12-11(13)5-9(17-7-11)10(18)16-2-1-8-6-14-3-4-15-8;/h3-4,6,9,17H,1-2,5,7H2,(H,16,18);1H
InChIKeyVGDCHFSWDVKMLV-UHFFFAOYSA-N
XLogP0.55
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-difluoro-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120954724
(2S)-4,4-difluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 59436448
N-[(5-chloro-2-pyridinyl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 120955436
1-methyl-N-(2-pyrazin-2-ylethyl)azepane-2-carboxamide
CID 72838302
(2S)-N-cyclobutyl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 155295075
3-[(4-fluorophenyl)methyl]-N-(2-pyrazin-2-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 45207968
(3S)-N-(2-pyrazin-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 29180371
(3R)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95719042
N-[(4-chloro-2-ethoxyphenyl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 120955148
4,4-difluoro-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide
CID 120955108
1-methyl-N-[4-(2-pyrazin-2-ylethylcarbamoyl)cyclohexyl]pyrrole-2-carboxamide
CID 169414482
4,4-difluoro-N-(4-propoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120955356

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-(2-pyrazin-2-ylethyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 4,4-difluoro-N-(2-pyrazin-2-ylethyl)pyrrolidine-2-carboxamide;hydrochloride (CID 120955430) is 4,4-difluoro-N-(2-pyrazin-2-ylethyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4,4-difluoro-N-(2-pyrazin-2-ylethyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 4,4-difluoro-N-(2-pyrazin-2-ylethyl)pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCCc1cnccn1)C1CC(F)(F)CN1.
What is the InChIKey of 4,4-difluoro-N-(2-pyrazin-2-ylethyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is VGDCHFSWDVKMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N4O.ClH/c12-11(13)5-9(17-7-11)10(18)16-2-1-8-6-14-3-4-15-8;/h3-4,6,9,17H,1-2,5,7H2,(H,16,18);1H.
What are the key properties of 4,4-difluoro-N-(2-pyrazin-2-ylethyl)pyrrolidine-2-carboxamide;hydrochloride?
4,4-difluoro-N-(2-pyrazin-2-ylethyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 292.72 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-(2-pyrazin-2-ylethyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120955430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).